1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide

C26H29FN4O2 — CID 52692656

IUPAC1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N(C)CCCCCc3cc(-c4ccc(F)cc4)n[nH]3)ccc21
InChIInChI=1S/C26H29FN4O2/c1-18(32)31-15-13-20-16-21(9-12-25(20)31)26(33)30(2)14-5-3-4-6-23-17-24(29-28-23)19-7-10-22(27)11-8-19/h7-12,16-17H,3-6,13-15H2,1-2H3,(H,28,29)
InChIKeyUTEJLCYCUCBBOB-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.61
Rot. Bonds8

About 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 52692656) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID52692656
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N(C)CCCCCc3cc(-c4ccc(F)cc4)n[nH]3)ccc21
InChIInChI=1S/C26H29FN4O2/c1-18(32)31-15-13-20-16-21(9-12-25(20)31)26(33)30(2)14-5-3-4-6-23-17-24(29-28-23)19-7-10-22(27)11-8-19/h7-12,16-17H,3-6,13-15H2,1-2H3,(H,28,29)
InChIKeyUTEJLCYCUCBBOB-UHFFFAOYSA-N
XLogP4.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-nitrobenzamide
CID 52692671
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55814053
2-chloro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylquinoline-6-carboxamide
CID 55858078
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55976056
3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
CID 122019002
1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide
CID 119757350
N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60525442
N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55814145
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55977344
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55866378

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide (CID 52692656) is 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)N(C)CCCCCc3cc(-c4ccc(F)cc4)n[nH]3)ccc21.
What is the InChIKey of 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is UTEJLCYCUCBBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-18(32)31-15-13-20-16-21(9-12-25(20)31)26(33)30(2)14-5-3-4-6-23-17-24(29-28-23)19-7-10-22(27)11-8-19/h7-12,16-17H,3-6,13-15H2,1-2H3,(H,28,29).
What are the key properties of 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 52692656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).